CID 6437211

Nonenenitrile

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CC/C=C/CCCCC#N

InChI

InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h3-4H,2,5-8H2,1H3/b4-3+

InChIKey

HWVWCKLNHVPAQP-ONEGZZNKSA-N

Compound name

(E)-non-6-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 137.12045 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	138.12773	129.1
[M+Na]+	160.10967	137.6
[M-H]-	136.11317	129.8
[M+NH4]+	155.15427	149.2
[M+K]+	176.08361	135.8
[M+H-H2O]+	120.11771	118.1
[M+HCOO]-	182.11865	149.0
[M+CH3COO]-	196.13430	188.9
[M+Na-2H]-	158.09512	135.0
[M]+	137.11990	126.0
[M]-	137.12100	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe